ANGULARINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCN3C[C@@H](O)[C@]([H])(COC(=O)[C@](C)(O)C(=C)C\C(=C\C)C(=O)O1)[C@]23[H]

InChI

InChIKey=MCWACAVORNFEFS-HMNNQIDUSA-N

InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:07:21 GMT 2025` Edited by `admin` on `Mon Mar 31 23:07:21 GMT 2025`
Record UNII	ECS7KM2H8M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANGULARINE

Common Name

English

SENECIONAN-11,16-DIONE, 13,19-DIDEHYDRO-1,2-DIHYDRO-2,12-DIHYDROXY-, (1.ALPHA.,2.ALPHA.)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID30415183

Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025

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FDA UNII

ECS7KM2H8M

Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025

PRIMARY

CAS

1354-37-6

Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025

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PUBCHEM

5281722

Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025

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